methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate

C21H20N2O4 — CID 168937798

IUPACmethyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNC(=O)c1ncc(-c2ccc3ccccc3c2)cc1O
InChIInChI=1S/C21H20N2O4/c1-13(21(26)27-2)11-23-20(25)19-18(24)10-17(12-22-19)16-8-7-14-5-3-4-6-15(14)9-16/h3-10,12-13,24H,11H2,1-2H3,(H,23,25)
InChIKeyIFGJJXIJEDJLRC-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.15
Rot. Bonds5

About methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate

methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate (PubChem CID 168937798) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate
PubChem CID168937798
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Namemethyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNC(=O)c1ncc(-c2ccc3ccccc3c2)cc1O
InChIInChI=1S/C21H20N2O4/c1-13(21(26)27-2)11-23-20(25)19-18(24)10-17(12-22-19)16-8-7-14-5-3-4-6-15(14)9-16/h3-10,12-13,24H,11H2,1-2H3,(H,23,25)
InChIKeyIFGJJXIJEDJLRC-UHFFFAOYSA-N
XLogP3.15
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid
CID 168937585
2-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]acetic acid
CID 71477196
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate
CID 163253667
3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 168937715
2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid
CID 24891735
3-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 143601659
N-ethyl-3-hydroxy-5-(3-naphthalen-2-yloxyprop-1-ynyl)pyridine-2-carboxamide
CID 146522303
methyl 3-[(2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 114332021
methyl 2-[(3-hydroxy-5-pyridin-2-ylpyridine-2-carbonyl)amino]acetate;methyl 2-[(3-hydroxy-5-pyridin-3-ylpyridine-2-carbonyl)amino]acetate
CID 157422619
methyl 2-[[5-(2-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 24891581
potassium 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 71491831

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate (CID 168937798) is methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate is COC(=O)C(C)CNC(=O)c1ncc(-c2ccc3ccccc3c2)cc1O.
What is the InChIKey of methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate?
The InChIKey is IFGJJXIJEDJLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13(21(26)27-2)11-23-20(25)19-18(24)10-17(12-22-19)16-8-7-14-5-3-4-6-15(14)9-16/h3-10,12-13,24H,11H2,1-2H3,(H,23,25).
What are the key properties of methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate?
methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate has a molecular weight of 364.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 168937798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).